2-tert-butyl-6-propan-2-yl-7H-pyrrolo[3,2-d]pyrimidine

C13H19N3 — CID 58100280

IUPAC2-tert-butyl-6-propan-2-yl-7H-pyrrolo[3,2-d]pyrimidine
SMILESCC(C)C1=Nc2cnc(C(C)(C)C)nc2C1
InChIInChI=1S/C13H19N3/c1-8(2)9-6-10-11(15-9)7-14-12(16-10)13(3,4)5/h7-8H,6H2,1-5H3
InChIKeyVLQXRLSXGYLQFZ-UHFFFAOYSA-N
MW217.32 g/mol
LogP3.06
Rot. Bonds1

About 2-tert-butyl-6-propan-2-yl-7H-pyrrolo[3,2-d]pyrimidine

2-tert-butyl-6-propan-2-yl-7H-pyrrolo[3,2-d]pyrimidine (PubChem CID 58100280) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 2-tert-butyl-6-propan-2-yl-7H-pyrrolo[3,2-d]pyrimidine.

Molecular Properties

Compound Name2-tert-butyl-6-propan-2-yl-7H-pyrrolo[3,2-d]pyrimidine
PubChem CID58100280
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name2-tert-butyl-6-propan-2-yl-7H-pyrrolo[3,2-d]pyrimidine
SMILESCC(C)C1=Nc2cnc(C(C)(C)C)nc2C1
InChIInChI=1S/C13H19N3/c1-8(2)9-6-10-11(15-9)7-14-12(16-10)13(3,4)5/h7-8H,6H2,1-5H3
InChIKeyVLQXRLSXGYLQFZ-UHFFFAOYSA-N
XLogP3.06
TPSA38.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-tert-butyl-6-propan-2-yl-7H-pyrrolo[3,2-d]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-propan-2-yl-7H-pyrrolo[3,2-d]pyrimidine?
The IUPAC name of 2-tert-butyl-6-propan-2-yl-7H-pyrrolo[3,2-d]pyrimidine (CID 58100280) is 2-tert-butyl-6-propan-2-yl-7H-pyrrolo[3,2-d]pyrimidine.
What is the SMILES notation for 2-tert-butyl-6-propan-2-yl-7H-pyrrolo[3,2-d]pyrimidine?
The canonical SMILES for 2-tert-butyl-6-propan-2-yl-7H-pyrrolo[3,2-d]pyrimidine is CC(C)C1=Nc2cnc(C(C)(C)C)nc2C1.
What is the InChIKey of 2-tert-butyl-6-propan-2-yl-7H-pyrrolo[3,2-d]pyrimidine?
The InChIKey is VLQXRLSXGYLQFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-8(2)9-6-10-11(15-9)7-14-12(16-10)13(3,4)5/h7-8H,6H2,1-5H3.
What are the key properties of 2-tert-butyl-6-propan-2-yl-7H-pyrrolo[3,2-d]pyrimidine?
2-tert-butyl-6-propan-2-yl-7H-pyrrolo[3,2-d]pyrimidine has a molecular weight of 217.32 g/mol, XLogP of 3.06, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-propan-2-yl-7H-pyrrolo[3,2-d]pyrimidine is sourced from PubChem (CID 58100280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).